(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-[3-(methylammonio)propyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-[3-(methylammonio)propyl]ammonium Formula: C20H29BrN2O2+2 MolecularWeight: 409.36046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH2+]C)Br)OCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH2+]C)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C20H27BrN2O2/c1-3-24-19-13-17(14-23-11-7-10-22-2)12-18(21)20(19)25-15-16-8-5-4-6-9-16/h4-6,8-9,12-13,22-23H,3,7,10-11,14-15H2,1-2H3/p+2